Crystallography Open Database

Information card for entry 7234321

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Coordinates	7234321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Cu F12 N4 O6
Calculated formula	C21 H19 Cu F12 N4 O6
Title of publication	A heterospin pressure sensor
Authors of publication	Kseniya Yu. Maryunina; Xiao Zhang; Sadafumi Nishihara; Katsuya Inoue; Vitaly A. Morozov; Galina V. Romanenko; Victor I. Ovcharenko
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7788 - 7791
a	12.276 ± 0.01 Å
b	16.18 ± 0.013 Å
c	15.724 ± 0.013 Å
α	90°
β	108.76 ± 0.02°
γ	90°
Cell volume	2957 ± 4 Å³
Cell temperature	306 ± 2 K
Ambient diffraction temperature	306 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2613
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for significantly intense reflections	0.1069
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	0.961
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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